Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c07f4358ecd51df19819631ff6023836",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 71.260,
"b": 71.260,
"c": 150.481,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.340,1.270],
"number_observations": 1087812,
"number_observations_unique": 94302,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "R(meas)",
"value": 0.093
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 16.700
},
{
"type": "Completeness",
"value": 91.900
},
{
"type": "Redundancy",
"value": 11.500
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.290,1.270],
"number_observations": 13670,
"number_observations_unique": 2733,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.639
},
{
"type": "R(meas)",
"value": 0.710
},
{
"type": "R(pim)",
"value": 0.303
},
{
"type": "I/SigI",
"value": 2.300
},
{
"type": "Completeness",
"value": 55.000
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.746
}
]
},
{
"resolution_limits": [29.340,6.960],
"number_observations": 8431,
"number_observations_unique": 757,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "R(meas)",
"value": 0.088
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 32.100
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 11.100
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
}
]
}